4-Nitro-2-(trifluoromethyl)benzoic acid - CAS 320-37-6
Catalog: |
BB021135 |
Product Name: |
4-Nitro-2-(trifluoromethyl)benzoic acid |
CAS: |
320-37-6 |
Synonyms: |
4-nitro-2-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-nitro-2-(trifluoromethyl)benzoic acid |
Description: | 4-Nitro-2-(trifluoromethyl)benzoic acid (CAS# 320-37-6) is a useful research chemical. |
Molecular Weight: | 235.12 |
Molecular Formula: | C8H4F3NO4 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14) |
InChI Key: | BPCKZQCTLCTDST-UHFFFAOYSA-N |
Boiling Point: | 321.4 °C at 760 mmHg |
Melting Point: | 138-142 °C (lit.) |
Purity: | 98 % |
Density: | 1.596 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD04039246 |
LogP: | 2.83500 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112225676-A | Fluorine-containing aromatic diamine compound and preparation method thereof, fluorine-containing polyimide compound and preparation method thereof | 20201019 |
CN-112225897-A | Trifluoromethyl substituted aromatic diamine compound containing aromatic ester structure and preparation method thereof | 20201019 |
CN-112079743-A | Diamine, polyimide and polyimide film | 20200826 |
WO-2020206583-A1 | Kinase inhibitors and uses thereof | 20190408 |
WO-2020176501-A1 | Compounds useful for inhibiting raf dimers | 20190225 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.00924210 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.00924210 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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